Name: Oxytocin free acid
Rating: 5 (10 reviews)

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HIT ID:HIT214323840
Cas No:4248-64-0
常用名:Oxytocin free acid
别名:9-Deamidooxytocin
IUPAC:2-[(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]acetic acid
IUPAC:2-[(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]acetic acid
InChI key:NFBCSRNZYJJWNB-DSZYJQQASA-N

分子式:C43H65N11O13S2
分子量:1008.18
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)=O)[C@@H](C)CC
SMILES:[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)=O)[C@@H](C)CC

Oxytocin free acid, also known as 9-Deamidooxytocin, is an analog of oxytocin where the glycinamide residue at position 9 has been substituted with a glycine residue. Oxytocin, a pleiotropic peptide hormone, has wide-ranging implications for general health, adaptation, development, reproduction, and social behavior.

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